PubChemLite - Fmoc-argininol(tos) (C28H32N4O5S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCCC[C@@H](CO)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N

InChI

InChI=1S/C28H32N4O5S/c1-19-12-14-21(15-13-19)38(35,36)32-27(29)30-16-6-7-20(17-33)31-28(34)37-18-26-24-10-4-2-8-22(24)23-9-3-5-11-25(23)26/h2-5,8-15,20,26,33H,6-7,16-18H2,1H3,(H,31,34)(H3,29,30,32)/t20-/m0/s1

InChIKey

UHFSLJGOTIFBSU-FQEVSTJZSA-N

Compound name

9H-fluoren-9-ylmethyl N-[(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-1-hydroxypentan-2-yl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	537.21663	223.1
[M+Na]+	559.19857	224.2
[M-H]-	535.20207	229.3
[M+NH4]+	554.24317	230.3
[M+K]+	575.17251	220.3
[M+H-H2O]+	519.20661	214.5
[M+HCOO]-	581.20755	238.0
[M+CH3COO]-	595.22320	254.2
[M+Na-2H]-	557.18402	225.8
[M]+	536.20880	226.9
[M]-	536.20990	226.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.21663

223.1

[M+Na]+

559.19857

224.2

[M-H]-

535.20207

229.3

[M+NH4]+

554.24317

230.3

[M+K]+

575.17251

220.3

[M+H-H2O]+

519.20661

214.5

[M+HCOO]-

581.20755

238.0

[M+CH3COO]-

595.22320

254.2

[M+Na-2H]-

557.18402

225.8

[M]+

536.20880

226.9

[M]-

536.20990

226.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fmoc-argininol(tos)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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